标题： IrMn$_3$的磁晶各向异性表面效应 显示英文标题

标题： Surface Effects on the Magnetocrystalline Anisotropy of IrMn$_3$

摘要： 磁各向异性是描述异质结构中交换偏置效应的关键参数。 在本文中，我们描述了对工业上关键的反铁磁材料IrMn与Fe之间界面的磁结构的显式密度泛函计算，它们共同形成一个简单的铁磁-反铁磁异质结构。 此外，评估了IrMn几种终止面的磁各向异性。 发现[111]表面具有1.62 meV/$\text{\AA}^2$的垂直各向异性，而两种可能的[100]表面（Ir富集和Mn富集）分别具有0.13 meV/$\text{\AA}^2$和1.39 meV/$\text{\AA}^2$的面内各向异性。 计算了易磁化和难磁化构型的磁序影响，并用来解释各向异性的相对值。 显示英文摘要

摘要： Magnetic anisotropy is a key parameter to describe the exchange bias effect in heterostructures. In this paper, we describe explicit density functional calculations of the magnetic structure of an interface between the industrially critically antiferromagnetic material, IrMn, and Fe, which together form a simple ferromagnet-antiferromagnet heterostructure. Additionally, the magnetic anisotropy was evaluated for several terminations of the IrMn. It was found that the [111] surface had a perpendicular anisotropy of 1.62 meV/$\text{\AA}^2$, whereas the two possible [100] surfaces (Ir-rich and Mn-rich) had in-plane anisotropies of 0.13 meV/$\text{\AA}^2$ and 1.39 meV/$\text{\AA}^2$ respectively. The affect of the magnetic order of the easy and hard configurations were calculated and used to explain the relative values of the anisotropies.